SCHEMBL223513

SCHEMBL223513

CC(C)N1CCC(NS(=O)(=O)C(CO)CNC(=O)c2ccc(Cl)s2)CC1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.68
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL222580 0.93 F10 (0.66) F10LMNATSHR
SCHEMBL221322 0.91 F10 (0.66) F10LMNATSHRMAPK1
SCHEMBL223191 0.90 F10 (0.65) F10LMNATSHRMAPK1
SCHEMBL222308 0.90 F10 (0.65) F10LMNATSHRMAPK1SMN1; SMN2
SCHEMBL219591 0.89 F10 (0.72) F10LMNATSHRMAPK1SMN1; SMN2
SCHEMBL220513 0.89 F10 (0.64) F10LMNATSHR
SCHEMBL220658 0.88 F10 (0.63) F10LMNATSHRMAPK1
SCHEMBL220526 0.86 F10 (0.60) F10LMNATSHRMAPK1
SCHEMBL221393 0.85 F10 (0.59) F10LMNATSHR
SCHEMBL219798 0.81 F10 (1.00) F10MAPK1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088925-B2 low molecular weight factor Xa specific blood clotting inhibitors; less side effects; 5-Chloro-thiophene-2-carboxylic acid [2-(1-isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide; thromboembolic diseases or restenosis; antithrombotic agents SANOFI-AVENTIS (FR) 2012-01-03 US disclosed